KEGG   COMPOUND: C01757
Entry
C01757                      Compound                               

Name
Triacetate;
3,5-Dioxo-hexanoic acid
Formula
C6H8O4
Exact mass
144.0423
Mol weight
144.1253
Structure
Reaction
Enzyme
Other DBs
CAS: 2140-49-0
PubChem: 4890
ChEBI: 16558
3DMET: B00346
NIKKAJI: J2.734.005I
KCF data

ATOM        10
            1   C1a C    14.4900  -19.5300
            2   C5a C    15.7024  -18.8300
            3   C1b C    16.9149  -19.5300
            4   C5a C    18.1273  -18.8300
            5   C1b C    19.3397  -19.5300
            6   C6a C    20.5522  -18.8300
            7   O6a O    21.7646  -19.5300
            8   O5a O    15.7024  -17.4302
            9   O5a O    18.1273  -17.4300
            10  O6a O    20.5522  -17.4303
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     4   9 2
            9     6  10 2

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